Solid State Communications最新文献

{"title":"Structural, electronic, and optical properties of AgGaP2Se6 under pressure: An ab initio study","authors":"Zeshan Zada,&nbsp;Yufeng Li,&nbsp;Ye Tao,&nbsp;Jian-Tao Wang","doi":"10.1016/j.ssc.2026.116360","DOIUrl":"10.1016/j.ssc.2026.116360","url":null,"abstract":"<div><div>AgGaP<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mtext>Se</mtext></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> can crystallize in orthorhombic <span><math><mi>α</mi></math></span>-phase and trigonal <span><math><mi>β</mi></math></span>-phase, depending on the preparation method at ambient conditions. Using ab initio calculations, we perform a detailed study of the structural, electronic, and optical properties of AgGaP<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mtext>Se</mtext></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> compounds in orthorhombic and trigonal symmetry under pressure. Our energy-volume calculations shows that the <span><math><mi>β</mi></math></span>-phase is more stable than the <span><math><mi>α</mi></math></span>-phase at ground state. Meanwhile, we identify a novel orthorhombic phase of AgGaP<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mtext>Se</mtext></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span> (<span><math><mi>γ</mi></math></span>-phase) with <span><math><mrow><mi>P</mi><mi>b</mi><mi>c</mi><mi>a</mi></mrow></math></span> symmetry that is more stable than the original structure (<span><math><mi>β</mi></math></span>-phase) above <span><math><mo>∼</mo></math></span>30 GPa. This <span><math><mi>γ</mi></math></span>-phase is dynamically stable under elevated pressure and undergoes a semiconductor-to-metal transition driven by the formation of interlayer bonds. The observed strong optical absorption of the <span><math><mi>β</mi></math></span>-phase suggests that these materials are promising candidates for use in solar cells. The discovery confirms a new high-pressure phase for AgGaP<span><math><mrow><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mtext>Se</mtext></mrow><mrow><mn>6</mn></mrow></msub></mrow></math></span>, providing a fundamental advance for designing tailored quaternary materials under extreme conditions.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116360"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing gamma radiation shielding in Sm3+-doped B2O3-CaO-ZnO glasses via BaO incorporation: A correlative study of attenuation and material properties","authors":"Manjunatha ,&nbsp;M.I. Sayyed ,&nbsp;A.S. Bennal ,&nbsp;Awatif Alshamari ,&nbsp;Feras Alnaimat ,&nbsp;Sulochana P. Melinmath ,&nbsp;Sanaa Alhumaidi ,&nbsp;M.H.A. Mhareb","doi":"10.1016/j.ssc.2026.116366","DOIUrl":"10.1016/j.ssc.2026.116366","url":null,"abstract":"<div><div>In the present work, a new group of borate glasses with a specific composition (55-x)B₂O₃-8CaO-13ZnO-(13+x)BaO-1Sm₂O₃, where x = 0, 3, 6, and 9 mol%, was synthesized to study the radiation shielding, optical, and mechanical capabilities. The optical features were evaluated based on the absorption spectra by using UV-Vis. Meanwhile, the Makishima-Mackenzie principle was employed to assess the mechanical features. The gamma ray shielding features were measured empirically employing specific sources. Adding barium oxide (BaO) led to a reduction in the glass stability based on the mechanical property evaluation and transformed from BO₃ to BO₄ with the addition of modifiers. The band gap exhibited a drop with the addition of BaO due to the formation of non-bridging oxygen. On the other hand, the effectiveness of adding BaO is noted on radiation shielding features, which showed improvement. The results indicate that the current glasses are suitable for use in radiation shielding.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116366"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386663","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic plateaus and dilution effects in bilayer borophene structure: A Monte Carlo study","authors":"Z. Fadil ,&nbsp;A. Jabar ,&nbsp;M. Naziruddin Khan ,&nbsp;Abdulrahman A. Alsayyari ,&nbsp;Chaitany Jayprakash Raorane ,&nbsp;Seong-Cheol Kim","doi":"10.1016/j.ssc.2026.116379","DOIUrl":"10.1016/j.ssc.2026.116379","url":null,"abstract":"<div><div>A Monte Carlo investigation of the bilayer borophene structure (BBS) with mixed spins (<em>σ</em> = 3/2, <em>S</em> = 5/2) is carried out to study magnetization plateaus and the effects of site dilution and temperature on this phenomenon. At low temperatures, the lattice is found to form six magnetization plateaus that depend on the effects of the exchange interaction and the crystal field anisotropy. Nonmagnetic dilution of the lattice decreases the height of the plateaus and the stability of the magnetized states as the temperature rises.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116379"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of samarium oxide (Sm2O3) nanoparticles for testing electrochemical sensing and photocatalytic applications","authors":"S. Vishnu Priya ,&nbsp;S. Gnanam ,&nbsp;J. Gajendiran","doi":"10.1016/j.ssc.2026.116372","DOIUrl":"10.1016/j.ssc.2026.116372","url":null,"abstract":"<div><div>Various solvent-mediated samarium oxide (Sm₂O₃) nanoparticles have been successfully synthesized using the microwave-assisted precipitation process. The structural, morphological, elemental, optical and electrochemical characteristics of the prepared Sm₂O₃ nanoparticles (SONPs) were examined using powder XRD, FTIR, SEM, EDX, TEM, UV, RTPL and CV analysis. The smaller particle size of cubic crystal-structured SONPs is examined in the range of ∼5-15 nm. Optical absorbance spectra exhibited the wide band gap values of the synthesized SONPs. The prominent blue-green emission bands were detected in the RTPL emission spectra due to the presence of surface-related defects. The electrochemical behaviour of the SONPs was primarily examined using CV analysis. The photodegradation of the synthesized SONPs was examined using methylene blue (MB) dye, and a photodegradation efficiency value of 88.8% was obtained.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116372"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"On the Mössbauer isomer shift of elemental iron","authors":"S.K. Dedushenko ,&nbsp;V.G. Kostishin ,&nbsp;S.V. Stepanov","doi":"10.1016/j.ssc.2026.116334","DOIUrl":"10.1016/j.ssc.2026.116334","url":null,"abstract":"<div><div>The Mössbauer isomer shift of elemental iron is linearly dependent on the radius of the iron atom. To interpret the change in the isomer shift, a qualitative analogy with the behavior of an electron density on a proton in a hydrogen atom H⁰, a hydrogen ion H<strong>⁻</strong>, a hydrogen molecule H₂, and a molecular ion H₂⁺ was used; the calculated ratios of these contact densities are 1 : 0.65: 0.914 : 0.406. This approach made it possible to explain the abnormally low values of the isomer shifts of atomic Fe in solid Ar and Xe matrices, and also to estimate the maximal value of the isomer shift of iron in compounds (∼1.8 mm s⁻¹ relative to α-Fe).</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116334"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Density functional theory study of 2D metallic XSeS (X=Pb, Bi) monolayers","authors":"S. Dahri ,&nbsp;A. Jabar ,&nbsp;L. Bahmad ,&nbsp;L.B. Drissi ,&nbsp;R. Ahl Laamara","doi":"10.1016/j.ssc.2026.116385","DOIUrl":"10.1016/j.ssc.2026.116385","url":null,"abstract":"<div><div>First-principles calculations have been performed in this research to assess the electronic, optical, and thermal properties of a non-magnetic metal in a 2D form, in a fully systematic manner. While examining the electronic structure, the considerable conductivity and thus the prospective use of the material as electrodes in energy storage devices, interconnects, and even nanoelectronic devices, was confirmed. It also possesses great dielectric properties and good light absorption in a few energy bands, which implies that it may be used to make transparent conductive films, photodetectors, and even devices that use plasmonics. The material was also subjected to a study of its thermodynamic properties (specific heat, Debye temperature, and entropy) under a range of temperatures and pressures and was found to be of excellent structural stability and operational stability under a myriad of conditions. For flexible electronics, high-speed devices at the nanoscale, sensors, and optoelectronics, this material is likely of great importance because of its high electrical conductivity, increased thermal stability, and the ability to optically adjust and control temperature. The future potential concerning non-magnetic 2D metals is promising.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116385"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic enhancement of magnetic and microwave absorption properties in Ba substituted DyFeO3 perovskite","authors":"Arja Vani ,&nbsp;Anusha Karumuri ,&nbsp;Tinku Baidya","doi":"10.1016/j.ssc.2026.116374","DOIUrl":"10.1016/j.ssc.2026.116374","url":null,"abstract":"<div><div>Dy_1-<em>x</em>Ba_<em>x</em>FeO₃ (<em>x</em> = 0 to 0.3) nanoparticles were synthesized via a sol–gel route, and their structural, morphological, magnetic, and electromagnetic properties were systematically investigated. X-ray diffraction and Rietveld refinement revealed a gradual transition from orthorhombic (<em>Pbnm</em>) to cubic (<em>Pm3̅m</em>) symmetry with increasing Ba content, accompanied by lattice expansion, reduced octahedral tilting, and a slight decrease in crystallite size. Raman spectroscopy confirmed the suppression of orthorhombic distortions and modifications in Fe-O bonding. XPS study indicated the coexistence of Fe³⁺ and Fe⁴⁺ ions, increasing the Fe⁴⁺/Fe³⁺ ratio with increasing Ba substitution up to 30%. Magnetic measurements demonstrated enhanced saturation and remanent magnetization with reduced coercivity, reflecting the modulation of spin interactions through Fe–O–Fe bond angle adjustments and double-exchange pathways. Electromagnetic studies in the 2–18 GHz range reveal that Dy_1-xBa_xFeO₃ nanoparticles exhibit composition-dependent microwave absorption behavior; notably, the <em>x</em> = 0.1 sample delivers the best overall absorption performance with effective impedance matching at a reduced thickness of 3.2 mm, whereas the <em>x</em> = 0.3 composition achieves the strongest minimum reflection loss (RL_min = −35.2 dB). The results highlight the tunable structural, magnetic, and electromagnetic properties of Dy_1-<em>x</em>Ba_<em>x</em>FeO₃ nanoparticles, making them promising candidates for spintronic applications, magnetic sensors, and microwave absorbing devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116374"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tunable p-type doping in CsPbBr3 via group IB metals for enhanced solar cell performance","authors":"Xingyu Chen ,&nbsp;Yuhuan Li ,&nbsp;Zeyu Lin ,&nbsp;Mai Hu ,&nbsp;Wenlong Liu ,&nbsp;Shenshen Zeng ,&nbsp;Yonghui Du ,&nbsp;Miao Zhang","doi":"10.1016/j.ssc.2026.116370","DOIUrl":"10.1016/j.ssc.2026.116370","url":null,"abstract":"<div><div>The heterovalent doping technology based on lead halide perovskites enables precise control of the hole concentration in materials by tuning the doping concentration, thereby effectively achieving p-type doping. In this study, group-IB ions (Au, Ag, Cu) are introduced to partially substitute the Pb cation in CsPbBr₃ at different concentrations. A systematic investigation is conducted on the structural stability, electronic structure, and optical properties of the doped perovskites using density functional theory. The results indicate that thermodynamically stable configurations are formed after doping, suggesting their feasibility for experimental synthesis. Through analysis of the band structures and density of states, it is found that ion doping can raise the position of the valence band, enabling it to cross the Fermi level, which facilitates the emergence of pronounced p-type semiconductor characteristics. Additionally, both the type and concentration of the dopant ions significantly influence the band gap of CsPbBr₃, causing it to vary within the range of 1.10 eV to 2.51 eV. This variation further enhances the material's light absorption capability in the visible and infrared regions. The spectral-limited maximum efficiency is used to evaluate the photovoltaic efficiency of the studied materials. The results reveal a substantial improvement in photovoltaic efficiency for the doped perovskites compared to CsPbBr₃, indicating their promising potential for application in p-n junction solar cells.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116370"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced Ion/Ioff ratio and controlled threshold voltage in multi-layer MoS2 transistors thinned by a reactive-ion etching process","authors":"Changwoo Lee ,&nbsp;Dae-Young Jeon","doi":"10.1016/j.ssc.2026.116376","DOIUrl":"10.1016/j.ssc.2026.116376","url":null,"abstract":"<div><div>Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDs), such as MoS₂, provide advantages such as good surface roughness without dangling bonds, diverse electronic and optical properties, and a desirable bandgap. In particular, multi-layer MoS₂ shows great potential for advanced field-effect transistor (FET)-based applications. In this study, multi-layer MoS₂ FETs were fabricated and subjected to systematic reactive ion etching (RIE) with CF₄ plasma. This process dramatically improved the on-current to off-current (I_on/I_off) ratio in a device in which the MoS₂ channel was thinned. The effective thickness of the MoS₂ channel with respect to the doping concentration, fluorinated surface, and maximum depletion width (D_max) are discussed in detail to verify the experimental results.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116376"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimizing spin canting and upconversion emission in Gd-modified SmFeO3 nanocrystals prepared via sol-gel synthesis","authors":"Lokanadham Marrapu ,&nbsp;D. Rama Sekhara Reddy","doi":"10.1016/j.ssc.2026.116367","DOIUrl":"10.1016/j.ssc.2026.116367","url":null,"abstract":"<div><div>The Sm_1-<em>x</em>Gd_<em>x</em>FeO₃ nanoparticles (<em>x</em> = 0.0, 0.1, 0.2, 0.3, and 0.4) were synthesized via a sol-gel method to systematically investigate the effect of Gd substitution on the structural, magnetic, and optical properties of SmFeO₃ orthoferrites. X-ray diffraction and Rietveld refinement confirmed that all compositions crystallize in a single-phase orthorhombically distorted perovskite structure with <em>Pbnm</em> symmetry, without any secondary phases. Progressive Gd³⁺ incorporation at the Sm³⁺ site induces lattice contraction, reducing the unit-cell volume from 241.5 ų (x = 0.0) to 239.0 ų (<em>x</em> = 0.3), accompanied by shortened Fe–O bond lengths (1.96 Å) and reduced Fe–O–Fe bond angles (151°), indicating enhanced FeO₆ octahedral tilting. Raman spectroscopy further corroborated these structural distortions through systematic phonon-mode shifts. Transmission electron microscopy revealed quasi-spherical, well-dispersed nanoparticles with an average size of 42 nm and high crystallinity. Room-temperature M − H measurements showed weak ferromagnetic behavior for all compositions due to Dzyaloshinskii–Moriya interaction–driven spin canting of the antiferromagnetic Fe³⁺ sublattice. The Sm_1-<em>x</em>Gd_<em>x</em>FeO₃ nanoparticles (<em>x</em> = 0.3) sample exhibited optimal magnetic performance with a saturation magnetization of ∼3.1 emu g⁻¹, remanent magnetization of ∼0.32 emu g⁻¹, and coercive field of 420 Oe, arising from strengthened DM interaction and Gd–Fe superexchange coupling. Photoluminescence studies revealed enhanced upconversion emission at <em>x</em> = 0.3 due to efficient Gd³⁺→Sm³⁺ energy transfer, while higher Gd content led to concentration quenching and reduced luminescence. These results establish a strong structure–property correlation and identify Sm_1-<em>x</em>Gd_<em>x</em>FeO₃ nanoparticles (<em>x</em> = 0.3) as an optimal multifunctional material for spintronic, magnetic sensing, and photonic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"411 ","pages":"Article 116367"},"PeriodicalIF":2.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386671","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}